Geometry & MOs

Info

ID:

215182

PubChem CID:

85084326

Reduced:

N6O8C39H62 (1)

Stoich.:

A6B8C39D62 (1)

Weight, g/mol:

742.28431

ΔHf, kcal/mol:

-408.14

Dipole, Da:

5.33

IP(EA), eV:

 -9.48(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylsulfanyl]acetyl]oxy-6-ethenyl-10a-methoxy-4,5,8,9-tetradehydro-2,6,7,10-tetrahydro-1H-cyclopenta[9]annulen-7-yl] benzoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CO)C(C)C)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations